[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

C22H25NO4 — CID 8949828

IUPAC[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H25NO4/c1-3-26-20-11-9-19(10-12-20)23-22(25)15(2)27-21(24)14-16-7-8-17-5-4-6-18(17)13-16/h7-13,15H,3-6,14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyFXKIENQNUSPHNK-OAHLLOKOSA-N
MW367.45 g/mol
LogP3.69
Rot. Bonds7

About [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 8949828) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID8949828
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H25NO4/c1-3-26-20-11-9-19(10-12-20)23-22(25)15(2)27-21(24)14-16-7-8-17-5-4-6-18(17)13-16/h7-13,15H,3-6,14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyFXKIENQNUSPHNK-OAHLLOKOSA-N
XLogP3.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535455
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate
CID 8572864
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535885
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8950186
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8983015
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886117
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732506
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535807
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616935
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 55357427

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (CID 8949828) is [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is CCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is FXKIENQNUSPHNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-26-20-11-9-19(10-12-20)23-22(25)15(2)27-21(24)14-16-7-8-17-5-4-6-18(17)13-16/h7-13,15H,3-6,14H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 367.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 8949828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).